methyl 4-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(3,4-diethoxyanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(3,4-diethoxyanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H22N2O8/c1-4-28-17-9-7-14(11-18(17)29-5-2)21-19(23)12-30-16-8-6-13(20(24)27-3)10-15(16)22(25)26/h6-11H,4-5,12H2,1-3H3,(H,21,23)